0 B5R0.1 CC(=O)\C=C/[O-] BBS-00032493 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 CC(C)CNN BBS-00006851 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.1 CC(C)N=C=O BBS-00020504 [0,0,0,0,0,0|1,0,1]=2 3 B5R0.1 CC(N)CCO BBS-00017066 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.1 COCC(C)N BBS-00028799 [0,0,0,0,0,0|4,0,0]=4 5 B5R0.1 CSCC(C)N BBS-00032559 [0,0,0,0,0,0|4,0,0]=4 6 B4R0.1 C#CC(C)N BBS-00030121 [1,0,0,0,0,0|2,0,1]=4 7 B4R0.1 C=CC(C)=O BBS-00028059 [1,0,0,0,0,0|2,0,1]=4 8 B4R0.1 CC(C)CN BBS-00020833 [1,0,0,0,0,0|1,0,1]=3 9 B4R0.1 CC(C)NN BBS-00024807 [1,0,0,0,0,0|2,0,0]=3 10 B4R0.1 CC(N)CF BBS-00026269 [1,0,0,0,0,0|2,0,1]=4 11 B4R0.1 COC(C)=O BBS-00032571 [1,0,0,0,0,0|1,0,2]=4 12 B4R0.1 O=CC(=O)O BBS-00020891 [1,0,0,0,0,0|2,0,1]=4 13 B4R0.2 C(=O)[N-]C=O BBS-00029757 [1,0,0,0,0,0|2,0,1]=4 14 B4R0.2 C=COC=C BBS-00029457 [1,0,0,0,0,0|1,0,2]=4 15 B4R0.2 CCCNN BBS-00032546 [1,0,0,0,0,0|3,0,0]=4 16 B4R0.2 CCN=C=S BBS-00004372 [1,0,0,0,0,0|1,1,1]=4 17 B6R0.1 CCC(C)N=C=S BBS-00024244 [0,1,0,0,0,0|1,1,1]=4 18 B6R0.1 CNC(C)CSC BBS-00032852 [0,1,0,0,0,0|3,0,0]=4 19 B6R0.2 CC(=O)CC(C)C BBS-00028076 [0,1,0,0,0,0|1,0,0]=2 20 B6R0.2 CC(C)CC(N)=O BBS-00025732 [0,1,0,0,0,0|1,0,0]=2 21 B6R0.2 CC(C)NC(=N)N BBS-00035886 [0,1,0,0,0,0|2,0,0]=3 22 B6R0.2 CC(C)OC(=S)[S-] BBS-00021896 [0,1,0,0,0,0|0,1,0]=2 23 B6R0.2 CC(N)CC(=O)O BBS-00020853 [0,1,0,0,0,0|2,0,0]=3 24 B6R0.2 CN(C)CC(=O)O BBS-00031818 [0,1,0,0,0,0|2,0,0]=3 25 B6R0.3 CC(C)\C(N)=N\O BBS-00013453 [0,1,0,0,0,0|2,0,1]=4 26 B6R0.4 CC(C)CN=C=O BBS-00018035 [0,1,0,0,0,0|1,0,1]=3 27 B6R0.4 CC(C)SCCCl BBS-00015673 [0,1,0,0,0,0|1,1,1]=4 28 B6R0.5 CC(C)(C)CNN BBS-00024836 [0,1,0,0,0,0|3,0,0]=4 29 B6R0.5 CCNC(C)(C)C BBS-00025642 [0,1,0,0,0,0|2,0,1]=4 30 B6R0.5 COCC(C)(C)N BBS-00011997 [0,1,0,0,0,0|3,0,0]=4 31 B6R1.3 CNCC1CC1 BBS-00024851 [0,0,0,1,0,0|3,0,0]=4 32 B6R1.3 NCCC1CC1 BBS-00025097 [0,0,0,1,0,0|2,0,1]=4 33 B6R1.3 NNCC1CC1 BBS-00026257 [0,0,0,1,0,0|3,0,0]=4 34 B6R1.3 O=C=NC1CC1 BBS-00018038 [0,0,0,1,0,0|1,0,1]=3 35 B6R1.3 [NH3+]OCC1CC1 BBS-00032418 [0,0,0,1,0,0|3,0,0]=4 36 B6R1.8 CC1CC1CN BBS-00017216 [0,0,0,1,0,0|2,0,1]=4 37 B6R1.8 CC1CC1CO BBS-00017218 [0,0,0,1,0,0|1,0,2]=4 38 B6R1.9 CC1(C)CC1N BBS-00017200 [0,0,0,1,0,0|2,0,1]=4 39 B6R1.10 CC1(C)CNC1 BBS-00016642 [0,0,0,1,0,0|3,0,0]=4 40 B3R0.1 C=CC[CH2-] BBS-00027244 [2,0,0,0,0,0|1,0,1]=4 41 B3R0.1 CCNO BBS-00026502 [2,0,0,0,0,0|1,0,1]=4 42 B3R0.2 CC(N)=O BBS-00020846 [2,0,0,0,0,0|1,0,1]=4 43 B5R0.3 C(=O)C(O)CO BBS-00029374 [1,1,0,0,0,0|1,0,0]=3 44 B5R0.3 C(C)=C(\C)CO BBS-00029567 [1,1,0,0,0,0|1,0,1]=4 45 B5R0.3 CC(C#N)CBr BBS-00033139 [1,1,0,0,0,0|1,0,1]=4 46 B5R0.3 CC(CN)CO BBS-00016648 [1,1,0,0,0,0|0,0,2]=4 47 B5R0.3 CC(CO)NN BBS-00022979 [1,1,0,0,0,0|2,0,0]=4 48 B5R0.3 CCC(C)NN BBS-00032568 [1,1,0,0,0,0|2,0,0]=4 49 B5R0.4 CC(C)(C)NN BBS-00004238 [1,1,0,0,0,0|2,0,0]=4 50 B5R0.4 CC(C)(N)C#N BBS-00008429 [1,1,0,0,0,0|1,0,1]=4 51 B5R0.4 CC(C)(N)CO BBS-00020842 [1,1,0,0,0,0|0,0,2]=4 52 B5R0.4 CC(C)(O)C#N BBS-00004270 [1,1,0,0,0,0|1,0,1]=4 53 B5R0.5 CC(Cl)C(=N)N BBS-00032606 [1,1,0,0,0,0|2,0,0]=4 54 B5R0.5 CC(N)C(=O)O BBS-00003820 [1,1,0,0,0,0|1,0,0]=3 55 B5R0.5 CC(N)C(N)=O BBS-00028694 [1,1,0,0,0,0|1,0,0]=3 56 B5R0.5 CC(O)C(=O)[O-] BBS-00028838 [1,1,0,0,0,0|1,0,0]=3 57 B5R0.5 CC(O)C(=O)[O-] BBS-00038938 [1,1,0,0,0,0|1,0,0]=3 58 B5R0.5 CN(C)C(=N)N BBS-00025081 [1,1,0,0,0,0|2,0,0]=4 59 B5R0.5 CN(C)C(=O)Cl BBS-00004352 [1,1,0,0,0,0|1,0,0]=3 60 B5R0.5 CN(C)C(N)=S BBS-00022207 [1,1,0,0,0,0|1,1,0]=4 61 B5R0.5 C[C@H](N)C(=O)O BBS-00039166 [1,1,0,0,0,0|1,0,0]=3 62 B5R0.5 O=C([O-])C(Cl)Cl BBS-00028928 [1,1,0,0,0,0|2,0,0]=4 63 B5R0.2 CCCN=C=O BBS-00020505 [1,1,0,0,0,0|1,0,1]=4 64 B5R0.2 O=C=NCCCl BBS-00020888 [1,1,0,0,0,0|1,0,1]=4 65 B7R0.2 CC(C)CC(=O)NN BBS-00039244 [0,2,0,0,0,0|1,0,0]=3 66 B7R0.2 CC(C)NC(=O)CCl BBS-00009628 [0,2,0,0,0,0|1,0,0]=3 67 B7R0.2 CC(C)NC(=S)NN BBS-00006557 [0,2,0,0,0,0|1,1,0]=4 68 B7R0.2 CC(C)OC(=O)CCl BBS-00003849 [0,2,0,0,0,0|0,0,0]=2 69 B7R0.2 CC(C)OC(=O)C[NH3+] BBS-00038711 [0,2,0,0,0,0|0,0,0]=2 70 B7R0.2 NC[C@H](O)CC(=O)O BBS-00024845 [0,2,0,0,0,0|2,0,0]=4 71 B7R0.9 C[N+](C)(C)CC(N)=O BBS-00029426 [0,2,0,0,0,0|2,0,0]=4 72 B7R0.16 CC(C)C(N)C(=O)O BBS-00028075 [0,2,0,0,0,0|1,0,0]=3 73 B7R0.16 CC(C)[C@H](N)C(=O)O BBS-00027540 [0,2,0,0,0,0|1,0,0]=3 74 B7R0.16 CC(O)C(N)C(=O)O BBS-00021069 [0,2,0,0,0,0|2,0,0]=4 75 B7R0.16 CC(O)C(O)C(=O)O BBS-00027358 [0,2,0,0,0,0|2,0,0]=4 76 B7R0.4 CC(C)OCCCN BBS-00028801 [0,2,0,0,0,0|1,0,1]=4 77 B7R0.6 CC(C)CCC(=O)O BBS-00024968 [0,2,0,0,0,0|1,0,0]=3 78 B7R0.6 CC(C)CNC(N)=O BBS-00036210 [0,2,0,0,0,0|1,0,0]=3 79 B7R0.6 CC(C)\C=C\[N+](=O)[O-] BBS-00029760 [0,2,0,0,0,0|1,0,0]=3 80 B7R0.6 CN(C)CCC(=O)O BBS-00016366 [0,2,0,0,0,0|2,0,0]=4 81 B7R0.8 CC(C)(C)CN=C=O BBS-00018132 [0,2,0,0,0,0|1,0,1]=4 82 B5R1.2 CC1CCN1 BBS-00016641 [1,0,0,1,0,0|1,0,1]=4 83 B5R1.3 N#CC1CC1 BBS-00024193 [1,0,0,1,0,0|1,0,1]=4 84 B5R1.3 NCC1CC1 BBS-00020859 [1,0,0,1,0,0|1,0,1]=4 85 B5R1.3 NNC1CC1 BBS-00033254 [1,0,0,1,0,0|2,0,0]=4 86 B5R1.4 C[C@@H]1C[C@H]1N BBS-00016702 [1,0,0,1,0,0|1,0,1]=4 87 B7R1.1 BrCC1CCCO1 BBS-00028105 [0,1,0,1,0,0|1,0,1]=4 88 B7R1.1 ClCC1CCCO1 BBS-00003854 [0,1,0,1,0,0|1,0,1]=4 89 B7R1.1 NCC1CCCO1 BBS-00008019 [0,1,0,1,0,0|1,0,1]=4 90 B7R1.2 CC1=NNC(=O)C1 BBS-00019276 [0,1,0,1,0,0|1,0,1]=4 91 B7R1.2 [NH3+]C1CNC(=O)C1 BBS-00024551 [0,1,0,1,0,0|2,0,0]=4 92 B7R1.5 CC1CC1N=C=O BBS-00021807 [0,1,0,1,0,0|1,0,1]=4 93 B7R1.6 O=C=NC1CCC1 BBS-00017992 [0,1,0,1,0,0|1,0,1]=4 94 B7R1.20 O=C(Cl)CC1CC1 BBS-00025311 [0,1,0,1,0,0|1,0,0]=3 95 B7R1.7 O=C=NCC1CC1 BBS-00018012 [0,1,0,1,0,0|1,0,1]=4